4-[1-[bis[2-(4-sulfophenyl)propyl]phosphanyl]propan-2-yl]benzenesulfonic acid

Systemtic Name: 4-[1-[bis[2-(4-sulfophenyl)propyl]phosphanyl]propan-2-yl]benzenesulfonic acid Openeye Name: 4-[2-[bis[2-(4-sulfophenyl)propyl]phosphanyl]-1-methyl-ethyl]benzenesulfonic acid CAS Name: 4-[1-[bis[2-(4-sulfophenyl)propyl]phosphino]propan-2-yl]benzenesulfonic acid IUPAC Name: 4-[1-[bis[2-(4-sulfophenyl)propyl]phosphanyl]propan-2-yl]benzenesulfonic acid Traditional Name: 4-[2-[bis[2-(4-sulfophenyl)propyl]phosphino]-1-methyl-ethyl]besylic acid Formula: C27H33O9PS3 MolecularWeight: 628.714281

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Descriptors Computed from Structure

Canonical SMILES:

CC(CP(CC(C)C1=CC=C(C=C1)S(=O)(=O)O)CC(C)C2=CC=C(C=C2)S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC(CP(CC(C)C1=CC=C(C=C1)S(=O)(=O)O)CC(C)C2=CC=C(C=C2)S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C27H33O9PS3/c1-19(22-4-10-25(11-5-22)38(28,29)30)16-37(17-20(2)23-6-12-26(13-7-23)39(31,32)33)18-21(3)24-8-14-27(15-9-24)40(34,35)36/h4-15,19-21H,16-18H2,1-3H3,(H,28,29,30)(H,31,32,33)(H,34,35,36)